Journal of Materiomics最新文献

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Alloy scattering to optimize carrier and phonon transport properties in PbBi2S4 thermoelectric
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-09-12 DOI: 10.1016/j.jmat.2024.100938
Wei Liu , Tao Hong , Xinxiu Cheng , Liqing Xu , Guilong Yan , Wenke He , Yu Xiao
{"title":"Alloy scattering to optimize carrier and phonon transport properties in PbBi2S4 thermoelectric","authors":"Wei Liu ,&nbsp;Tao Hong ,&nbsp;Xinxiu Cheng ,&nbsp;Liqing Xu ,&nbsp;Guilong Yan ,&nbsp;Wenke He ,&nbsp;Yu Xiao","doi":"10.1016/j.jmat.2024.100938","DOIUrl":"10.1016/j.jmat.2024.100938","url":null,"abstract":"<div><div>Ternary PbBi<sub>2</sub>S<sub>4</sub> compound with crustal S-rich element and low lattice thermal conductivity is considered as a potential thermoelectric candidate. However, its inferior thermoelectric properties are rooted in the low electrical transport performance. Generally, enhancing electrical transport performance (power factor, PF) primarily entails optimizing the interdependent relationship between carrier mobility <em>μ</em> (linked to electrical conductivity <em>σ</em>) and effective mass <em>m</em>∗ (related to Seebeck coefficient <em>S</em>). In this work, we introduce the strategy of alloy scattering to independently enhance <em>S</em> without weakening <em>μ</em> and simultaneously reduce thermal conductivity, leading to a synergetic optimization of electron and phonon in PbBi<sub>2</sub>S<sub>4</sub> thermoelectric. Heavy Sn alloying in PbBi<sub>2</sub>S<sub>4</sub> presents uniform and orderly distribution on Pb sites as unclosed by the atomic-scale crystal structure observation. These massive Sn atom serves as scattering centers and turns the electron scattering mechanism to be dominated by alloy scattering, thus resulting in a ∼33% increment of <em>S</em> in Pb<sub>0.6</sub>Sn<sub>0.4</sub>Bi<sub>2</sub>S<sub>4</sub>. Meanwhile, Sn alloying aggravates phonon scattering further lowering lattice thermal conductivity and reaching an extremely low value of 0.34 W⋅m<sup>−1</sup>·K<sup>−1</sup> at 773 K. Finally, a maximum <em>zT</em> of 0.68 at 773 K is obtained in Pb<sub>0.6</sub>Sn<sub>0.4</sub>Bi<sub>2</sub>S<sub>4</sub>, which is ∼ 45% higher than the pristine matrix. This study proves that the strategy of alloy scattering is effective in improving overall electrical transport properties as well as reducing lattice thermal conductivity, which paves a new way to develop high-performance thermoelectric materials.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 4","pages":"Article 100938"},"PeriodicalIF":8.4,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In-situ surface modification of nickel mesh for superior electromagnetic interference shielding
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-09-01 DOI: 10.1016/j.jmat.2024.100936
Zhihang Fu , Yufeng Wu , Yunzhi Li , Kai Huang , Qingsong Li , Huiming Yao , Wanting Cao , Song Gao , Yang Qin , Zhichuan Zheng , Jianchun Xu , Ming Lei , Ke Bi , Hui Wu
{"title":"In-situ surface modification of nickel mesh for superior electromagnetic interference shielding","authors":"Zhihang Fu ,&nbsp;Yufeng Wu ,&nbsp;Yunzhi Li ,&nbsp;Kai Huang ,&nbsp;Qingsong Li ,&nbsp;Huiming Yao ,&nbsp;Wanting Cao ,&nbsp;Song Gao ,&nbsp;Yang Qin ,&nbsp;Zhichuan Zheng ,&nbsp;Jianchun Xu ,&nbsp;Ming Lei ,&nbsp;Ke Bi ,&nbsp;Hui Wu","doi":"10.1016/j.jmat.2024.100936","DOIUrl":"10.1016/j.jmat.2024.100936","url":null,"abstract":"<div><div>Metal mesh, with its inherent conductivity, transparency, and flexibility, has proven to be an exceptional choice for high-performance reflection-dominated electromagnetic interference (EMI) shielding materials, due to its multifunctionality and wide applicability. However, the development of metal-based absorption-enhanced EMI shielding materials characterized by high absorption and low reflection is crucial but remains challenging. Herein, we introduce a novel surface modification strategy for nickel mesh (NM) aimed at augmenting its surface electromagnetic wave absorption through electrochemical surface microstructure alteration and subsequent wet chemical sulphuration. This approach leverages the multiple reflections within the microporous structure and the impedance matching enhancement provided by the magnetic sulfided nickel layer, resulting in the sulfur-treated porous NM (Ni<sub>3</sub>S<sub>2</sub>-PNM) achieving an outstanding average EMI SE of 59.6 dB across a broad frequency range of 4–40 GHz. The surface electromagnetic wave absorption rate of Ni<sub>3</sub>S<sub>2</sub>-PNM has increased from under 1% for unmodified NM to over 60%, significantly reducing the re-reflection of electromagnetic waves back into free space (the average SE<sub>R</sub> value decreases from about 20 dB to 2.2 dB). Characterized by its simplicity and cost-effectiveness, this <em>in-situ</em> surface modification method on bulk industrial-grade NM, enhancing electromagnetic shielding, presents a promising avenue for wider application in electromagnetic protection.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 4","pages":"Article 100936"},"PeriodicalIF":8.4,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143173484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Air-stable silicon hybrid solar cells constructed via hydrophobic polymer film 通过疏水性聚合物薄膜构建空气稳定硅混合太阳能电池
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-08-31 DOI: 10.1016/j.jmat.2024.100935
Qi Geng , Zhen Liu , Yuzhou Liu , Zhe Wang , Zhongliang Gao , Xin Sun , Yingfeng Li , Lei Chen , Xiaojun Lv , Meicheng Li
{"title":"Air-stable silicon hybrid solar cells constructed via hydrophobic polymer film","authors":"Qi Geng ,&nbsp;Zhen Liu ,&nbsp;Yuzhou Liu ,&nbsp;Zhe Wang ,&nbsp;Zhongliang Gao ,&nbsp;Xin Sun ,&nbsp;Yingfeng Li ,&nbsp;Lei Chen ,&nbsp;Xiaojun Lv ,&nbsp;Meicheng Li","doi":"10.1016/j.jmat.2024.100935","DOIUrl":"10.1016/j.jmat.2024.100935","url":null,"abstract":"<div><div>Silicon (Si) hybrid solar cells have advantages of solution manufacturing process and the potential for achieving low-cost fabrication compared to crystalline Si solar cells. However, the functional layer prepared by solution method usually absorbs water molecules from the air, posing a challenge to the stability of the device. Here, a PEDOT derivative, PEDOT:A, was <em>in situ</em> prepared through the introduction of a fluoropolymer, yielding a strongly hydrophobic film that was assembled into a PEDOT:A/Si hybrid solar cell. The PEDOT:A/Si hybrid solar cells retained 90% of its initial performance after storage in the air for 300 h, while PEDOT:PSS only retained 60% with identical device structure. Meanwhile, first principles calculations indicate that the binding energy between fluoropolymer and water molecule was 3.48 kJ/mol, whereas the binding energy between PSS and water molecule was −5.76 kJ/mol. Benefiting from the weak interaction between fluoropolymer and water molecule, the contact angle of water on PEDOT:A film was 100.84°. After optimization, PEDOT:A/Si hybrid solar cells with ITO achieved a power conversion efficiency of 6.43%, retained 97% of its initial efficiency after testing under same conditions. The development of air-stable hybrid device technology is promising in opening up practical applications of low-cost Si based solar cells.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100935"},"PeriodicalIF":8.4,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142535894","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advancement in PMN-PT transparent piezoelectric ceramic for photoacoustic/ultrasound dual-mode imaging
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-08-30 DOI: 10.1016/j.jmat.2024.100932
Pengkun Guo , Wen Gao , Riqiang Lin , Xiatian Wang , Jiale Lan , Jiaming Zhang , Yanan Wang , Lin Zhu , Yongcheng Zhang , Feng Li , Weijie Zheng , Tianlong Zhao , Kwok-Ho Lam , Xiaojing Gong , Zhihua Xie , Yalin Qin , Shujun Zhang
{"title":"Advancement in PMN-PT transparent piezoelectric ceramic for photoacoustic/ultrasound dual-mode imaging","authors":"Pengkun Guo ,&nbsp;Wen Gao ,&nbsp;Riqiang Lin ,&nbsp;Xiatian Wang ,&nbsp;Jiale Lan ,&nbsp;Jiaming Zhang ,&nbsp;Yanan Wang ,&nbsp;Lin Zhu ,&nbsp;Yongcheng Zhang ,&nbsp;Feng Li ,&nbsp;Weijie Zheng ,&nbsp;Tianlong Zhao ,&nbsp;Kwok-Ho Lam ,&nbsp;Xiaojing Gong ,&nbsp;Zhihua Xie ,&nbsp;Yalin Qin ,&nbsp;Shujun Zhang","doi":"10.1016/j.jmat.2024.100932","DOIUrl":"10.1016/j.jmat.2024.100932","url":null,"abstract":"<div><div>Dual-mode imaging combining photoacoustic and ultrasound modalities holds great promise for comprehensive tissue characterization. In traditional dual-mode imaging systems, however, the opaque ultrasound transducers are integrated in complex optical and ultrasound paths, leading to compromises in imaging efficiency and sensitivity. To address these challenges, we design and produce highly transparent Pb(Mg,Nb)O<sub>3</sub><img>PbTiO<sub>3</sub> ceramics with exceptional transparency of 68%, alongside a remarkable ultrahigh piezoelectric <em>d</em><sub>33</sub> of 1500 pC/N. Leveraging this material, we fabricate a high-sensitivity transparent piezoelectric ultrasound transducer (TPUT) with a center frequency of 16 MHz and a bandwidth of 30%, which seamlessly integrating ultrasound and photoacoustic capabilities into one system to achieve simultaneous photoacoustic/ultrasound dual-mode imaging, showcasing a remarkable sensitivity for deep-tissue detection (<em>e.g.</em>, 7.5 mm thick chicken breast meat). Additionally, <em>in</em> <em>vivo</em> photoacoustic imaging of subcutaneous microvasculature in a mouse ear was successfully achieved <em>via</em> 28 MHz TPUT. Our innovation not only advances imaging performance but also offers a cost-effective solution, paving the way for transformative biomedical imaging applications.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 4","pages":"Article 100932"},"PeriodicalIF":8.4,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143173482","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cold sintering of CsPbBr3 quantum dots embedded KBr ceramics for LED displays
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-08-30 DOI: 10.1016/j.jmat.2024.100933
Jie Gao , Yu Ren , Qi Ding, Peng Yan, Yongping Liu, Yunfeng Hu, Jihu Chen, Zhi Cheng, Yuchi Fan, Wan Jiang
{"title":"Cold sintering of CsPbBr3 quantum dots embedded KBr ceramics for LED displays","authors":"Jie Gao ,&nbsp;Yu Ren ,&nbsp;Qi Ding,&nbsp;Peng Yan,&nbsp;Yongping Liu,&nbsp;Yunfeng Hu,&nbsp;Jihu Chen,&nbsp;Zhi Cheng,&nbsp;Yuchi Fan,&nbsp;Wan Jiang","doi":"10.1016/j.jmat.2024.100933","DOIUrl":"10.1016/j.jmat.2024.100933","url":null,"abstract":"<div><div>Thanks to their tunable luminescence, narrow emission range, and superior color fidelity, perovskite quantum dots (PeQDs) are widely considered as promising materials for next-generation backlight displays. However, the susceptibility to degradation and failure when exposed to ambient environment significantly hampers their widespread applications. Herein, we reported an effective strategy to encapsulate CsPbBr<sub>3</sub> nanocrystals into robust KBr matrix <em>via</em> cold sintering process at 120 °C. The well prepared translucent CsPbBr<sub>3</sub>@KBr ceramic displays a narrow green photoluminescence (with a full-width at half-maximum of ∼22 nm) and an quantum yield of 73.6% with remarkable thermal stability. By incorporating red emitting K<sub>2</sub>SiF<sub>4</sub>:Mn<sup>4+</sup> phosphor into the KBr matrix, the color gamut of the constructed white LED improves to 118% of the National Television System Committee (NTSC) standard, suggesting that the thermally robust and narrow-band green emitter holds significant promise for wide-color-gamut liquid crystal displays.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 4","pages":"Article 100933"},"PeriodicalIF":8.4,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174782","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unveiling the structure–activity relationships of tetracycline degradation by photocatalytic activation peroxymonosulfate of CuBi2O4 microspheres: DFT calculation and mechanism insight 揭示 CuBi2O4 微球光催化活化过硫酸盐降解四环素的结构-活性关系:DFT 计算与机理研究
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-08-30 DOI: 10.1016/j.jmat.2024.100934
Jin Wang , Jiaming Li , Yuan Li, Gaoke Zhang
{"title":"Unveiling the structure–activity relationships of tetracycline degradation by photocatalytic activation peroxymonosulfate of CuBi2O4 microspheres: DFT calculation and mechanism insight","authors":"Jin Wang ,&nbsp;Jiaming Li ,&nbsp;Yuan Li,&nbsp;Gaoke Zhang","doi":"10.1016/j.jmat.2024.100934","DOIUrl":"10.1016/j.jmat.2024.100934","url":null,"abstract":"<div><div>Achieving efficient photocatalytic activation of peroxymonosulfate (PMS) degradation of pollutants through the regulation strategy of surface microstructure in catalysts remains a challenge. Herein, CuBi<sub>2</sub>O<sub>4</sub> nanorods (CBO NRs) and CuBi<sub>2</sub>O<sub>4</sub> microspheres (CBO Ms) were synthesized by simply regulating the alkalinity of the reaction solvent. Under full–spectrum irradiation, CBO Ms exhibited remarkable photocatalytic performance, removing 92.48% of tetracycline (TC) within 12 min, with the reaction rate constant reaching 0.2135 min<sup>−1</sup>, which is approximately 2.7 times that of CBO NRs (0.0798 min<sup>−1</sup>). The exposure of oxygen vacancies on the surface of CBO Ms significantly promoted the generation and migration of photogenerated carriers internally, accelerated charge accumulation at the Cu active sites on the surface, and thereby enhanced the adsorption of CBO Ms on PMS. The charge density difference results confirmed the rapid transference of surface–enriched electrons to the PMS, facilitating further activation of PMS. Radical quenching experiment and EPR testing verified that both radical (SO<sub>4</sub><sup>•−</sup>, •OH) and non–radical (<sup>1</sup>O<sub>2</sub>) pathways were involved in the reaction system. This study offers novel insights into the design of catalysts for the photocatalytic activation of PMS to efficiently degrade environmental pollutants.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 3","pages":"Article 100934"},"PeriodicalIF":8.4,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142536060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Diffusosphere engineering in BNT-based multilayer heterogeneous film capacitors for high performance
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-08-28 DOI: 10.1016/j.jmat.2024.100931
Jin Qian , Panpan Lv , Guanglong Ge , Siming Wang , Jinfeng Lin , Fei Yan , Bo Shen , Zhenxiang Cheng , Jiwei Zhai
{"title":"Diffusosphere engineering in BNT-based multilayer heterogeneous film capacitors for high performance","authors":"Jin Qian ,&nbsp;Panpan Lv ,&nbsp;Guanglong Ge ,&nbsp;Siming Wang ,&nbsp;Jinfeng Lin ,&nbsp;Fei Yan ,&nbsp;Bo Shen ,&nbsp;Zhenxiang Cheng ,&nbsp;Jiwei Zhai","doi":"10.1016/j.jmat.2024.100931","DOIUrl":"10.1016/j.jmat.2024.100931","url":null,"abstract":"<div><div>Combining layers with high breakdown resistance and high polarization is a promising approach for designing dielectric capacitors with high energy density and efficiency. However, such combinations often accompany strong interfacial polarization, magnification of local electric fields, leading to premature breakdown. This work addresses this issue <em>via</em> controlled formation of diffusospheres. We constructed multilayer heterogeneous films using two Bi<sub>0.5</sub>Na<sub>0.5</sub>TiO<sub>3</sub> (BNT)-based substances with high breakdown resistance and high polarization properties. Experimental results and finite element simulations demonstrate that the energy storage capacity of these films effectively harnesses the advantages of both phases. Notably, the interface polarization is minimal. Instead, a solid solution-like diffusosphere, formed by the mutual diffusion of ions between the two phases, plays a crucial role. The diffusosphere acts as a transition zone, mitigating charge aggregation at the interfaces and optimizing the relaxor and breakdown characteristics of the capacitor. With six diffusospheres, the multilayer heterogeneous capacitor achieves a recoverable energy storage density of 94 J/cm<sup>3</sup>, a significant advancement in BNT-based energy storage films. This work proposes and validates the concept of diffusospheres and their role in reducing interfacial polarization in multilayer heterogeneous films, enhancing the understanding of heterogeneous composite structures and advancing the field of dielectric energy storage.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 4","pages":"Article 100931"},"PeriodicalIF":8.4,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143173463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Excellent energy-storage performance realized in SANNS-based tungsten bronze ceramics via synergistic optimization strategy
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-08-13 DOI: 10.1016/j.jmat.2024.100930
Shudong Xu , Mingzhe Han , Zhipeng Zhu , Yuzhen Zhao , Wenqi Song , Xue Dong , Zemin He , Zongcheng Miao , Lingling Wei , Zupei Yang
{"title":"Excellent energy-storage performance realized in SANNS-based tungsten bronze ceramics via synergistic optimization strategy","authors":"Shudong Xu ,&nbsp;Mingzhe Han ,&nbsp;Zhipeng Zhu ,&nbsp;Yuzhen Zhao ,&nbsp;Wenqi Song ,&nbsp;Xue Dong ,&nbsp;Zemin He ,&nbsp;Zongcheng Miao ,&nbsp;Lingling Wei ,&nbsp;Zupei Yang","doi":"10.1016/j.jmat.2024.100930","DOIUrl":"10.1016/j.jmat.2024.100930","url":null,"abstract":"<div><div>A series of tungsten bronze (Sr<sub>2–<em>x</em></sub>Bi<sub><em>x</em></sub>Ag<sub>0.2</sub>Na<sub>0.8</sub>) (Nb<sub>4.8–<em>x</em></sub>Zr<sub><em>x</em></sub>Sb<sub>0.2</sub>)O<sub>15</sub> compounds were fabricated by solid-state method to systematically study the impacts of co-doping Bi<sup>3+</sup>/Zr<sup>4+</sup> ions in A/B-sites on the structures, relaxor characteristics, and energy-storage performances. The relationship between structures and relaxor behaviors are summarized as three main points: (1) with increasing the amount of co-doping Bi<sup>3+</sup>/Zr<sup>4+</sup> ions, the crystal structure evolved from an orthorhombic <em>Bbm</em>2 to a tetragonal paraelectric <em>P</em>4/<em>mbm</em> symmetry at room temperature; (2) enhancing relaxor characteristics at room temperature was achieved by tailoring the temperature region of <em>T</em><sub>m</sub>−<em>T</em><sub>B</sub> (<em>T</em><sub>m</sub> is the dielectric maximum temperature, <em>T</em><sub>B</sub> is the Burns temperature), which could be attributed to the incommensurate local structure modulations associated with the orthogonal distortion of <em>P</em>4<em>bm</em> symmetry and the appearance of microdomains; (3) The co-introduction of Bi<sup>3+</sup> and Zr<sup>4+</sup> could also played an important role in inhibiting the grain sizes, increasing resistivity and band-gap to enhance the breakdown strength. Finally, a superior recoverable energy-storage density (3.61 J/cm<sup>3</sup>) and an ultrahigh energy efficiency (90%) were obtained simultaneously at 389 kV/cm in BZ<sub>0.05</sub> ceramics. Moreover, an outstanding power density (158.98 MW/cm<sup>3</sup>) together with a current density of 1422.29 A/cm<sup>2</sup> was realized at 220 kV/cm from the charging−discharging performance measurements. The excellent energy-storage performance (ESPs) make the environmentally friendly BZ<sub>0.05</sub> samples show enormous potential in high-power capacitor applications.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 4","pages":"Article 100930"},"PeriodicalIF":8.4,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174784","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Machine learning assisted Q×f value prediction of ABO4-type microwave dielectric ceramics
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-08-10 DOI: 10.1016/j.jmat.2024.100926
Liangyu Mo , Jincheng Qin , Mingsheng Ma , Zhifu Liu
{"title":"Machine learning assisted Q×f value prediction of ABO4-type microwave dielectric ceramics","authors":"Liangyu Mo ,&nbsp;Jincheng Qin ,&nbsp;Mingsheng Ma ,&nbsp;Zhifu Liu","doi":"10.1016/j.jmat.2024.100926","DOIUrl":"10.1016/j.jmat.2024.100926","url":null,"abstract":"<div><div>Microwave dielectric ceramics (MWDCs) with a high <em>Q</em>×<em>f</em> value can improve the performance of radio frequency components like resonators, filters, antennas and so on. However, the quantitative structure-property relationship (QSPR) for the <em>Q</em>×<em>f</em> value is complicated and unclear. In this study, machine learning methods were used to explore the QSPR and build up <em>Q</em>×<em>f</em> value prediction model based on a dataset of 164 ABO<sub>4</sub>-type MWDCs. We employed five commonly-used algorithms for modeling, and 35 structural features having correlations with <em>Q</em>×<em>f</em> value were used as input. In order to describe structure from both global and local perspectives, three different feature construction methods were compared. The optimal model based on support vector regression with radial basis function kernel shows good performances and generalization capability. The features contained in the optimal model are primitive cell volume, molecular dielectric polarizability and electronegativity with A- and B-site mean method. The relationships between property and structure were discussed. The model used for the <em>Q</em>×<em>f</em> value prediction of tetragonal scheelite shows excellent performances (<em>R</em><sup>2</sup> = 0.8115 and RMSE = 8362.73 GHz), but it needs auxiliary features of average bond length, theoretical density and polarizability per unit volume for monoclinic wolframite ceramics to improve model prediction ability.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 4","pages":"Article 100926"},"PeriodicalIF":8.4,"publicationDate":"2024-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143173485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhancement of thermoelectric properties of p-type bismuth telluride bulk composites with AgTiO2 nano particles via spray coating and hot deformation process
IF 8.4 1区 材料科学
Journal of Materiomics Pub Date : 2024-08-10 DOI: 10.1016/j.jmat.2024.100929
Anil Kumar , Saurabh Thoravat , Hong Jong Jin , Junyoung Park , Hyungyu Jin , Pooja Rawat , Jong-Soo Rhyee
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